![5-[(Methylbutanoyl)oxy]-1-hydroxy-4-methoxy-2,9-dioxoxantha-11-en-6,12-olide](/api/spectrum/KT4iO8bDvAn/structure.png?h=300&w=458 "5-[(Methylbutanoyl)oxy]-1-hydroxy-4-methoxy-2,9-dioxoxantha-11-en-6,12-olide")
| SpectraBase Compound ID | Axzbt5CeO44 |
|---|---|
| InChI | InChI=1S/C21H30O8/c1-7-10(2)19(24)29-18-17-14(12(4)20(25)28-17)9-15(22)13(5)21(18,26)16(23)8-11(3)27-6/h10-11,13-14,17-18,26H,4,7-9H2,1-3,5-6H3/t10?,11?,13?,14?,17-,18+,21-/m1/s1 |
| InChIKey | BXKGAYOASXGOFL-PNIDDCABSA-N |
| Mol Weight | 410.46 g/mol |
| Molecular Formula | C21H30O8 |
| Exact Mass | 410.194068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KT4iO8bDvAn |
|---|---|
| Name | 5-[(Methylbutanoyl)oxy]-1-hydroxy-4-methoxy-2,9-dioxoxantha-11-en-6,12-olide |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O8 |
| InChI | InChI=1S/C21H30O8/c1-7-10(2)19(24)29-18-17-14(12(4)20(25)28-17)9-15(22)13(5)21(18,26)16(23)8-11(3)27-6/h10-11,13-14,17-18,26H,4,7-9H2,1-3,5-6H3/t10?,11?,13?,14?,17-,18+,21-/m1/s1 |
| InChIKey | BXKGAYOASXGOFL-PNIDDCABSA-N |
| Molecular Weight | 410.463 g/mol |
| SMILES | O[C@@]1([C@]([C@]2(C(C(=C)C(O2)=O)CC(C1C)=O)[H])(OC(=O)C(CC)C)[H])C(CC(OC)C)=O |
| SPLASH | splash10-0a4i-0259000000-7f7435d941d2f2ae4fab |
| Source of Spectrum | G4-62-1549-8 |
| Wiley ID | 1608116 |